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Details

Stereochemistry ACHIRAL
Molecular Formula C12H8O4S.2Na
Molecular Weight 294.234
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Phenol, 4,4′-sulfonylbis-, disodium salt

SMILES

[Na+].[Na+].[O-]C1=CC=C(C=C1)S(=O)(=O)C2=CC=C([O-])C=C2

InChI

InChIKey=JGONSKFXXDANLR-UHFFFAOYSA-L
InChI=1S/C12H10O4S.2Na/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12;;/h1-8,13-14H;;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula C12H8O4S
Molecular Weight 248.255
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Peroxidase-catalyzed co-oxidation of 3,3',5,5'-tetramethylbenzidine with 2-amino-4-nitrophenol, 4,4'-dihydroxydiphenylsulfone, and their polydisulfides in aqueous and micellar media.
2001 Jun
Unexpected differences in the alpha-halogenation and related reactivity of sulfones with perhaloalkanes in KOH-t-BuOH.
2003 Jan 24
Peroxidase-catalyzed co-oxidation of 3,3',5,5'-tetramethylbenzidine in the presence of substituted phenols and their polydisulfides.
2004 Jan
Comparative study of the uterotrophic potency of 14 chemicals in a uterotrophic assay and their receptor-binding affinity.
2004 Jan 15
Biodegradation of a variety of bisphenols under aerobic and anaerobic conditions.
2006
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Biodegradation of bisphenol A and related compounds by Sphingomonas sp. strain BP-7 isolated from seawater.
2007 Jan
Removal characteristics of endocrine-disrupting chemicals by laccase from white-rot fungi.
2008 Jan
Biodegradation of bisphenol A, bisphenol F and bisphenol S in seawater.
2009 Apr
2-(4-Hydroxy-phenyl-sulfon-yl)phenol.
2009 Jan 28
Determination of polymer electrolyte membrane (PEM) degradation products in fuel cell water using electrospray ionization tandem mass spectrometry.
2010 Dec 30
Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands.
2010 Dec 5
Micro-biofuel cell powered by glucose/O2 based on electro-deposition of enzyme, conducting polymer and redox mediators: preparation, characterization and performance in human serum.
2010 Feb 15
Sulfonated poly(arylene ether sulfone)s with phosphine oxide moieties: a promising material for proton exchange membranes.
2010 Jun
Weak estrogenic transcriptional activities of Bisphenol A and Bisphenol S.
2012 Aug
Bisphenol S disrupts estradiol-induced nongenomic signaling in a rat pituitary cell line: effects on cell functions.
2013 Mar
Bisphenol A affects androgen receptor function via multiple mechanisms.
2013 May 25
In vitro study on the agonistic and antagonistic activities of bisphenol-S and other bisphenol-A congeners and derivatives via nuclear receptors.
2013 Oct 1
Exploring the interaction of bisphenol-S with serum albumins: a better or worse alternative for bisphenol a?
2014 Apr 10
Comparative study of bisphenol A and its analogue bisphenol S on human hepatic cells: a focus on their potential involvement in nonalcoholic fatty liver disease.
2014 Aug
Are structural analogues to bisphenol a safe alternatives?
2014 May
Is bisphenol S a safe substitute for bisphenol A in terms of metabolic function? An in vitro study.
2014 Oct 15
Genome-wide gene expression profiling of low-dose, long-term exposure of human osteosarcoma cells to bisphenol A and its analogs bisphenols AF and S.
2015 Aug
Comparing the effects of tetrabromobisphenol-A, bisphenol A, and their potential replacement alternatives, TBBPA-bis(2,3-dibromopropyl ether) and bisphenol S, on cell viability and messenger ribonucleic acid expression in chicken embryonic hepatocytes.
2015 Feb
Rapid responses and mechanism of action for low-dose bisphenol S on ex vivo rat hearts and isolated myocytes: evidence of female-specific proarrhythmic effects.
2015 Jun
Structural bisphenol analogues differentially target steroidogenesis in murine MA-10 Leydig cells as well as the glucocorticoid receptor.
2015 Mar 2
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:24:29 GMT 2023
Edited
by admin
on Sat Dec 16 12:24:29 GMT 2023
Record UNII
VQ36DXT5JL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Phenol, 4,4′-sulfonylbis-, disodium salt
Systematic Name English
Phenol, 4,4′-sulfonylbis-, sodium salt (1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
VQ36DXT5JL
Created by admin on Sat Dec 16 12:24:29 GMT 2023 , Edited by admin on Sat Dec 16 12:24:29 GMT 2023
PRIMARY
ECHA (EC/EINECS)
222-738-4
Created by admin on Sat Dec 16 12:24:29 GMT 2023 , Edited by admin on Sat Dec 16 12:24:29 GMT 2023
PRIMARY
PUBCHEM
77146
Created by admin on Sat Dec 16 12:24:29 GMT 2023 , Edited by admin on Sat Dec 16 12:24:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID3063095
Created by admin on Sat Dec 16 12:24:29 GMT 2023 , Edited by admin on Sat Dec 16 12:24:29 GMT 2023
PRIMARY
CAS
3594-55-6
Created by admin on Sat Dec 16 12:24:29 GMT 2023 , Edited by admin on Sat Dec 16 12:24:29 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE